4-(3,5-dichloro-2-methoxyphenyl)-2-methylbutan-1-amine

C12H17Cl2NO — CID 116924959

IUPAC4-(3,5-dichloro-2-methoxyphenyl)-2-methylbutan-1-amine
SMILESCOc1c(Cl)cc(Cl)cc1CCC(C)CN
InChIInChI=1S/C12H17Cl2NO/c1-8(7-15)3-4-9-5-10(13)6-11(14)12(9)16-2/h5-6,8H,3-4,7,15H2,1-2H3
InChIKeyRTFUWSYKYQWRPW-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.53
Rot. Bonds5

About 4-(3,5-dichloro-2-methoxyphenyl)-2-methylbutan-1-amine

4-(3,5-dichloro-2-methoxyphenyl)-2-methylbutan-1-amine (PubChem CID 116924959) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 4-(3,5-dichloro-2-methoxyphenyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name4-(3,5-dichloro-2-methoxyphenyl)-2-methylbutan-1-amine
PubChem CID116924959
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name4-(3,5-dichloro-2-methoxyphenyl)-2-methylbutan-1-amine
SMILESCOc1c(Cl)cc(Cl)cc1CCC(C)CN
InChIInChI=1S/C12H17Cl2NO/c1-8(7-15)3-4-9-5-10(13)6-11(14)12(9)16-2/h5-6,8H,3-4,7,15H2,1-2H3
InChIKeyRTFUWSYKYQWRPW-UHFFFAOYSA-N
XLogP3.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,5-dichloro-2-methoxyphenyl)pentane-2,3-diol
CID 83941161
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CID 82477195
N'-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]methanediamine
CID 115226065
1-(2-bromoethyl)-3,5-dichloro-2-methoxybenzene
CID 82489523
2-[2-(3,5-dichloro-2-ethoxyphenyl)ethyl]propane-1,3-diamine
CID 83941186
1,5-dichloro-3-ethyl-2-methoxybenzene
CID 71215672
4-(3,5-dichloro-2,4-dimethoxyphenyl)butan-2-amine
CID 83953316
(1R)-1-(3,5-dichloro-2-methoxyphenyl)ethane-1,2-diamine
CID 66517963
1,5-dichloro-2-methoxy-3-(2,2,2-trifluoroethyl)benzene
CID 116932155
1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine
CID 117344115
2-amino-3-(3,5-dichloro-2-methoxyphenyl)propanamide
CID 116850865
(3,5-dichloro-2-methoxyphenyl)methyl-[(2R)-2-hydroxypropyl]azanium
CID 7827915

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichloro-2-methoxyphenyl)-2-methylbutan-1-amine?
The IUPAC name of 4-(3,5-dichloro-2-methoxyphenyl)-2-methylbutan-1-amine (CID 116924959) is 4-(3,5-dichloro-2-methoxyphenyl)-2-methylbutan-1-amine.
What is the SMILES notation for 4-(3,5-dichloro-2-methoxyphenyl)-2-methylbutan-1-amine?
The canonical SMILES for 4-(3,5-dichloro-2-methoxyphenyl)-2-methylbutan-1-amine is COc1c(Cl)cc(Cl)cc1CCC(C)CN.
What is the InChIKey of 4-(3,5-dichloro-2-methoxyphenyl)-2-methylbutan-1-amine?
The InChIKey is RTFUWSYKYQWRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-8(7-15)3-4-9-5-10(13)6-11(14)12(9)16-2/h5-6,8H,3-4,7,15H2,1-2H3.
What are the key properties of 4-(3,5-dichloro-2-methoxyphenyl)-2-methylbutan-1-amine?
4-(3,5-dichloro-2-methoxyphenyl)-2-methylbutan-1-amine has a molecular weight of 262.18 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichloro-2-methoxyphenyl)-2-methylbutan-1-amine is sourced from PubChem (CID 116924959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).